N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,4-dinitro-aniline

Systemtic Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,4-dinitro-aniline Openeye Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,4-dinitro-aniline CAS Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,4-dinitroaniline IUPAC Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2,4-dinitroaniline Traditional Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(2,4-dinitrophenyl)amine Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O6/c19-17(20)10-5-6-12(13(7-10)18(21)22)16-8-11-9-23-14-3-1-2-4-15(14)24-11/h1-7,11,16H,8-9H2/t11-/m1/s1